HRID1150307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID520082

Methyl hex-5-enoate

C7H12O2

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

HCID68880793

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCC=Cc1ccc(-c2nocc2C(=O)O)cc1

HCID68884463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b49b9b1a27d4204982dc781b0b4cbfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:16]([CH2:17][CH2:18][CH2:19][CH:20]=[CH2:21])(=[O:22])[O:23][CH3:24].[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH2:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])[CH3:61].[ClH:47].[I:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][cH:11][c:12]2[C:13](=[O:14])[OH:15])[cH:6][cH:7]1.[Pd+2:66].[c:25]1([CH3:26])[cH:27][cH:28][cH:29][cH:30][c:31]1[P:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46]>>[c:2]1([CH:21]=[CH:20][CH2:19][CH2:18][CH2:17][C:16](=[O:22])[O:23][CH3:24])[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][cH:11][c:12]2[C:13](=[O:14])[OH:15])[cH:6][cH:7]1